Base information
| Cat. No. | |
| CAS No. | 80793-25-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H9BrO |
| Molecular Weight | 213.071 |
| Exact Mass | 211.984 |
| XLogP3 | 2.5806 |
| Mr | 48.922 |
| PSA | 17.07 |
| Sequence | - |
| Atom number | 20 |
| Bond number | 20 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | O=CCCc1ccc(cc1)Br |
